4-(3,5-dimethylpiperazin-1-yl)-2-phenyl-quinazoline hydrate

Systemtic Name: 4-(3,5-dimethylpiperazin-1-yl)-2-phenyl-quinazoline hydrate Openeye Name: 4-(3,5-dimethylpiperazin-1-yl)-2-phenyl-quinazoline hydrate CAS Name: 4-(3,5-dimethyl-1-piperazinyl)-2-phenylquinazoline hydrate IUPAC Name: 4-(3,5-dimethylpiperazin-1-yl)-2-phenylquinazoline hydrate Traditional Name: 4-(3,5-dimethylpiperazino)-2-phenyl-quinazoline hydrate Formula: C20H24N4O MolecularWeight: 336.43076

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4.O

Isomeric SMILES

CC1CN(CC(N1)C)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4.O

InChI

InChI=1S/C20H22N4.H2O/c1-14-12-24(13-15(2)21-14)20-17-10-6-7-11-18(17)22-19(23-20)16-8-4-3-5-9-16;/h3-11,14-15,21H,12-13H2,1-2H3;1H2