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Summary Geometry Related PDB entries

WDR

Summary

Name:	(4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyethoxy)-3-methyl-3,4-dihydroquinazolin-2(1H)-one
Formula:	C16 H19 N3 O4
Formal charge:	0
Formula weight:	317.34 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyethoxy)-3-methyl-3,4-dihydroquinazolin-2(1H)-one
OpenEye OEToolkits	1.7.2	(4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyethyloxy)-3-methyl-1,4-dihydroquinazolin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C3Nc2c(cc(c1c(onc1C)C)cc2)C(OCCO)N3C
InChI	InChI	1.03	InChI=1S/C16H19N3O4/c1-9-14(10(2)23-18-9)11-4-5-13-12(8-11)15(22-7-6-20)19(3)16(21)17-13/h4-5,8,15,20H,6-7H2,1-3H3,(H,17,21)/t15-/m0/s1
InChIKey	InChI	1.03	PRJSSNHOEZPGMA-HNNXBMFYSA-N
SMILES_CANONICAL	CACTVS	3.370	CN1[C@@H](OCCO)c2cc(ccc2NC1=O)c3c(C)onc3C
SMILES	CACTVS	3.370	CN1[CH](OCCO)c2cc(ccc2NC1=O)c3c(C)onc3C
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	Cc1c(c(on1)C)c2ccc3c(c2)[C@@H](N(C(=O)N3)C)OCCO
SMILES	OpenEye OEToolkits	1.7.2	Cc1c(c(on1)C)c2ccc3c(c2)C(N(C(=O)N3)C)OCCO

222415

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