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Summary

Name:	(1R)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one
Formula:	C15 H19 N5 O2
Formal charge:	0
Formula weight:	301.344 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(1R)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one
OpenEye OEToolkits	1.7.6	(1R)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C4NN=C1N(c3c(OC1)cc(c(NC2CNC2)c3)C)C4C
InChI	InChI	1.03	InChI=1S/C15H19N5O2/c1-8-3-13-12(4-11(8)17-10-5-16-6-10)20-9(2)15(21)19-18-14(20)7-22-13/h3-4,9-10,16-17H,5-7H2,1-2H3,(H,19,21)/t9-/m1/s1
InChIKey	InChI	1.03	YWULJUISHNTGOC-SECBINFHSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@H]1N2C(=NNC1=O)COc3cc(C)c(NC4CNC4)cc23
SMILES	CACTVS	3.385	C[CH]1N2C(=NNC1=O)COc3cc(C)c(NC4CNC4)cc23
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cc1cc2c(cc1NC3CNC3)N4[C@@H](C(=O)NN=C4CO2)C
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc2c(cc1NC3CNC3)N4C(C(=O)NN=C4CO2)C

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건을2024-07-24부터공개중

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