N,N-dimethyl-2-(phenylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine

Systemtic Name: N,N-dimethyl-2-(phenylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine Openeye Name: 2-benzyl-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine CAS Name: N,N-dimethyl-2-(phenylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine IUPAC Name: 2-benzyl-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine Traditional Name: (2-benzyl-6,7,8,9-tetrahydro-5H-pyrimid[4,5-d]azepin-4-yl)-dimethyl-amine Formula: C17H22N4 MolecularWeight: 282.38338

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=C1CCNCC2)CC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=NC(=NC2=C1CCNCC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H22N4/c1-21(2)17-14-8-10-18-11-9-15(14)19-16(20-17)12-13-6-4-3-5-7-13/h3-7,18H,8-12H2,1-2H3