8,9-dimethoxy-N-(phenylmethyl)-6,11-dihydro-5H-pyrimido[4,5-b][1,4]benzodiazepin-4-amine

Systemtic Name: 8,9-dimethoxy-N-(phenylmethyl)-6,11-dihydro-5H-pyrimido[4,5-b][1,4]benzodiazepin-4-amine Openeye Name: N-benzyl-8,9-dimethoxy-6,11-dihydro-5H-pyrimido[4,5-b][1,4]benzodiazepin-4-amine CAS Name: 8,9-dimethoxy-N-(phenylmethyl)-6,11-dihydro-5H-pyrimido[4,5-b][1,4]benzodiazepin-4-amine IUPAC Name: N-benzyl-8,9-dimethoxy-6,11-dihydro-5H-pyrimido[4,5-b][1,4]benzodiazepin-4-amine Traditional Name: benzyl-(8,9-dimethoxy-6,11-dihydro-5H-pyrimido[4,5-b][1,4]benzodiazepin-4-yl)amine Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CNC3=C(N2)N=CN=C3NCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CNC3=C(N2)N=CN=C3NCC4=CC=CC=C4)OC

InChI

InChI=1S/C20H21N5O2/c1-26-16-8-14-11-21-18-19(22-10-13-6-4-3-5-7-13)23-12-24-20(18)25-15(14)9-17(16)27-2/h3-9,12,21H,10-11H2,1-2H3,(H2,22,23,24,25)