3-[2-(aminomethyl)-5-methyl-cyclohexyl]quinazolin-4-one

Systemtic Name: 3-[2-(aminomethyl)-5-methyl-cyclohexyl]quinazolin-4-one Openeye Name: 3-[2-(aminomethyl)-5-methyl-cyclohexyl]quinazolin-4-one CAS Name: 3-[2-(aminomethyl)-5-methylcyclohexyl]-4-quinazolinone IUPAC Name: 3-[2-(aminomethyl)-5-methylcyclohexyl]quinazolin-4-one Traditional Name: 3-[2-(aminomethyl)-5-methyl-cyclohexyl]quinazolin-4-one Formula: C16H21N3O MolecularWeight: 271.35744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)N2C=NC3=CC=CC=C3C2=O)CN

Isomeric SMILES

CC1CCC(C(C1)N2C=NC3=CC=CC=C3C2=O)CN

InChI

InChI=1S/C16H21N3O/c1-11-6-7-12(9-17)15(8-11)19-10-18-14-5-3-2-4-13(14)16(19)20/h2-5,10-12,15H,6-9,17H2,1H3