1-[4-(4-azanyl-2-butyl-6,7-dimethyl-imidazo[4,5-c]pyridin-1-yl)butyl]-3-phenyl-thiourea hydrate

Systemtic Name: 1-[4-(4-azanyl-2-butyl-6,7-dimethyl-imidazo[4,5-c]pyridin-1-yl)butyl]-3-phenyl-thiourea hydrate Openeye Name: 1-[4-(4-amino-2-butyl-6,7-dimethyl-imidazo[4,5-c]pyridin-1-yl)butyl]-3-phenyl-thiourea hydrate CAS Name: 1-[4-(4-amino-2-butyl-6,7-dimethyl-1-imidazo[4,5-c]pyridinyl)butyl]-3-phenylthiourea hydrate IUPAC Name: 1-[4-(4-amino-2-butyl-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-3-phenylthiourea hydrate Traditional Name: 1-[4-(4-amino-2-butyl-6,7-dimethyl-imidazo[4,5-c]pyridin-1-yl)butyl]-3-phenyl-thiourea hydrate Formula: C23H34N6OS MolecularWeight: 442.62066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N=C(C(=C2N1CCCCNC(=S)NC3=CC=CC=C3)C)C)N.O

Isomeric SMILES

CCCCC1=NC2=C(N=C(C(=C2N1CCCCNC(=S)NC3=CC=CC=C3)C)C)N.O

InChI

InChI=1S/C23H32N6S.H2O/c1-4-5-13-19-28-20-21(16(2)17(3)26-22(20)24)29(19)15-10-9-14-25-23(30)27-18-11-7-6-8-12-18;/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3,(H2,24,26)(H2,25,27,30);1H2