(3S)-N-[2-(aminocarbonylamino)-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-5-yl]-3-azanyl-6-cyano-N-methyl-hexanamide hydrochloride

Systemtic Name: (3S)-N-[2-(aminocarbonylamino)-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-5-yl]-3-azanyl-6-cyano-N-methyl-hexanamide hydrochloride Openeye Name: (3S)-3-amino-6-cyano-N-methyl-N-(6-oxo-2-ureido-4,5-dihydro-1H-pyrimidin-5-yl)hexanamide hydrochloride CAS Name: (3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-6-cyano-N-methylhexanamide hydrochloride IUPAC Name: (3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-6-cyano-N-methylhexanamide hydrochloride Traditional Name: (3S)-3-amino-6-cyano-N-(6-keto-2-ureido-4,5-dihydro-1H-pyrimidin-5-yl)-N-methyl-hexanamide hydrochloride Formula: C13H22ClN7O3 MolecularWeight: 359.81188

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CN=C(NC1=O)NC(=O)N)C(=O)CC(CCCC#N)N.Cl

Isomeric SMILES

CN(C1CN=C(NC1=O)NC(=O)N)C(=O)C[C@H](CCCC#N)N.Cl

InChI

InChI=1S/C13H21N7O3.ClH/c1-20(10(21)6-8(15)4-2-3-5-14)9-7-17-13(18-11(9)22)19-12(16)23;/h8-9H,2-4,6-7,15H2,1H3,(H4,16,17,18,19,22,23);1H/t8-,9?;/m0./s1