4-azanyl-8-butyl-N-cyclopropyl-cinnoline-3-carboxamide hydrate hydrochloride

Systemtic Name: 4-azanyl-8-butyl-N-cyclopropyl-cinnoline-3-carboxamide hydrate hydrochloride Openeye Name: 4-amino-8-butyl-N-cyclopropyl-cinnoline-3-carboxamide hydrate hydrochloride CAS Name: 4-amino-8-butyl-N-cyclopropyl-3-cinnolinecarboxamide hydrate hydrochloride IUPAC Name: 4-amino-8-butyl-N-cyclopropylcinnoline-3-carboxamide hydrate hydrochloride Traditional Name: 4-amino-8-butyl-N-cyclopropyl-cinnoline-3-carboxamide hydrate hydrochloride Formula: C16H23ClN4O2 MolecularWeight: 338.83242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC2=C1N=NC(=C2N)C(=O)NC3CC3.O.Cl

Isomeric SMILES

CCCCC1=CC=CC2=C1N=NC(=C2N)C(=O)NC3CC3.O.Cl

InChI

InChI=1S/C16H20N4O.ClH.H2O/c1-2-3-5-10-6-4-7-12-13(17)15(20-19-14(10)12)16(21)18-11-8-9-11;;/h4,6-7,11H,2-3,5,8-9H2,1H3,(H2,17,19)(H,18,21);1H;1H2