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Summary Geometry Related PDB entries

MTZ

Summary

Name:	4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE
Formula:	C18 H20 N6 O S
Formal charge:	0
Formula weight:	368.456 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	4-methyl-5-{(2Z)-2-[(4-morpholin-4-ylphenyl)imino]-2,5-dihydropyrimidin-4-yl}-1,3-thiazol-2-amine
OpenEye OEToolkits	1.5.0	4-methyl-5-[2-(4-morpholin-4-ylphenyl)imino-5H-pyrimidin-4-yl]-1,3-thiazol-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	N\2=C(c1sc(nc1C)N)CC=NC/2=N\c4ccc(N3CCOCC3)cc4
SMILES_CANONICAL	CACTVS	3.341	Cc1nc(N)sc1C2=NC(N=CC2)=Nc3ccc(cc3)N4CCOCC4
SMILES	CACTVS	3.341	Cc1nc(N)sc1C2=NC(N=CC2)=Nc3ccc(cc3)N4CCOCC4
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1c(sc(n1)N)C2=NC(=Nc3ccc(cc3)N4CCOCC4)N=CC2
SMILES	OpenEye OEToolkits	1.5.0	Cc1c(sc(n1)N)C2=NC(=Nc3ccc(cc3)N4CCOCC4)N=CC2
InChI	InChI	1.03	InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-5,7H,6,8-11H2,1H3,(H2,19,21)/b22-18-
InChIKey	InChI	1.03	RPSZSAKYXPWBRR-PYCFMQQDSA-N

219140

PDB entries from 2024-05-01

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