4-azanyl-8-(2-methylpropyl)-N-propyl-cinnoline-3-carboxamide hydrate hydrochloride

Systemtic Name: 4-azanyl-8-(2-methylpropyl)-N-propyl-cinnoline-3-carboxamide hydrate hydrochloride Openeye Name: 4-amino-8-isobutyl-N-propyl-cinnoline-3-carboxamide hydrate hydrochloride CAS Name: 4-amino-8-(2-methylpropyl)-N-propyl-3-cinnolinecarboxamide hydrate hydrochloride IUPAC Name: 4-amino-8-(2-methylpropyl)-N-propylcinnoline-3-carboxamide hydrate hydrochloride Traditional Name: 4-amino-8-isobutyl-N-propyl-cinnoline-3-carboxamide hydrate hydrochloride Formula: C16H25ClN4O2 MolecularWeight: 340.8483

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C2=C(C(=CC=C2)CC(C)C)N=N1)N.O.Cl

Isomeric SMILES

CCCNC(=O)C1=C(C2=C(C(=CC=C2)CC(C)C)N=N1)N.O.Cl

InChI

InChI=1S/C16H22N4O.ClH.H2O/c1-4-8-18-16(21)15-13(17)12-7-5-6-11(9-10(2)3)14(12)19-20-15;;/h5-7,10H,4,8-9H2,1-3H3,(H2,17,19)(H,18,21);1H;1H2