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Summary Geometry Related PDB entries

A1MCM

Summary

Name:	(4~{S})-4-[3-chloranyl-4-(2,2-dimethylpropoxy)phenyl]-~{N},~{N},6-trimethyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide
Formula:	C19 H26 Cl N3 O3
Formal charge:	0
Formula weight:	379.881 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(4~{S})-4-[3-chloranyl-4-(2,2-dimethylpropoxy)phenyl]-~{N},~{N},6-trimethyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C19H26ClN3O3/c1-11-15(17(24)23(5)6)16(22-18(25)21-11)12-7-8-14(13(20)9-12)26-10-19(2,3)4/h7-9,16H,10H2,1-6H3,(H2,21,22,25)/t16-/m0/s1
InChIKey	InChI	1.06	YEPGKQXWRUMKBO-INIZCTEOSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)C(=O)C1=C(C)NC(=O)N[C@H]1c2ccc(OCC(C)(C)C)c(Cl)c2
SMILES	CACTVS	3.385	CN(C)C(=O)C1=C(C)NC(=O)N[CH]1c2ccc(OCC(C)(C)C)c(Cl)c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC1=C([C@@H](NC(=O)N1)c2ccc(c(c2)Cl)OCC(C)(C)C)C(=O)N(C)C
SMILES	OpenEye OEToolkits	2.0.7	CC1=C(C(NC(=O)N1)c2ccc(c(c2)Cl)OCC(C)(C)C)C(=O)N(C)C

257179

PDB entries from 2026-07-29

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