(2S)-2-azanyl-N-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methyl-butanamide

Systemtic Name: (2S)-2-azanyl-N-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methyl-butanamide Openeye Name: (2S)-2-amino-N-[[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]methyl]-3-methyl-butanamide CAS Name: (2S)-2-amino-N-[[1-(6,7-dimethoxy-4-quinazolinyl)-4-piperidinyl]methyl]-3-methylbutanamide IUPAC Name: (2S)-2-amino-N-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylbutanamide Traditional Name: (2S)-2-amino-N-[[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]methyl]-3-methyl-butyramide Formula: C21H31N5O3 MolecularWeight: 401.50254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1CCN(CC1)C2=NC=NC3=CC(=C(C=C32)OC)OC)N

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1CCN(CC1)C2=NC=NC3=CC(=C(C=C32)OC)OC)N

InChI

InChI=1S/C21H31N5O3/c1-13(2)19(22)21(27)23-11-14-5-7-26(8-6-14)20-15-9-17(28-3)18(29-4)10-16(15)24-12-25-20/h9-10,12-14,19H,5-8,11,22H2,1-4H3,(H,23,27)/t19-/m0/s1