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Summary Geometry Related PDB entries

MU3

Summary

Name:	(4R)-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C15 H16 N4 O2
Formal charge:	0
Formula weight:	284.313 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4R)-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
OpenEye OEToolkits	2.0.7	(4~{R})-~{N}-(4-cyclopropyl-1,2,4-triazol-3-yl)-3,4-dihydro-2~{H}-chromene-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1nncn1C1CC1)C1CCOc2ccccc21
InChI	InChI	1.06	InChI=1S/C15H16N4O2/c20-14(17-15-18-16-9-19(15)10-5-6-10)12-7-8-21-13-4-2-1-3-11(12)13/h1-4,9-10,12H,5-8H2,(H,17,18,20)/t12-/m1/s1
InChIKey	InChI	1.06	BMUGFKLSYMKHTP-GFCCVEGCSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C(Nc1nncn1C2CC2)[C@@H]3CCOc4ccccc34
SMILES	CACTVS	3.385	O=C(Nc1nncn1C2CC2)[CH]3CCOc4ccccc34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)[C@@H](CCO2)C(=O)Nc3nncn3C4CC4
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)C(CCO2)C(=O)Nc3nncn3C4CC4

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