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

Systemtic Name: N-methyl-2-(phenylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine Openeye Name: 2-benzyl-N-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine CAS Name: N-methyl-2-(phenylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine IUPAC Name: 2-benzyl-N-methyl-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)-methyl-amine Formula: C16H20N4 MolecularWeight: 268.3568

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1CCNCC2)CC3=CC=CC=C3

Isomeric SMILES

CNC1=NC(=NC2=C1CCNCC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H20N4/c1-17-16-13-7-9-18-10-8-14(13)19-15(20-16)11-12-5-3-2-4-6-12/h2-6,18H,7-11H2,1H3,(H,17,19,20)