4-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine

Systemtic Name: 4-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Openeye Name: 4-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine CAS Name: 4-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine IUPAC Name: 4-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Traditional Name: [4-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]azepin-2-yl]amine Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3CCCCNC3=NC(=N2)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3CCCCNC3=NC(=N2)N)OC

InChI

InChI=1S/C16H20N4O2/c1-21-12-7-6-10(9-13(12)22-2)14-11-5-3-4-8-18-15(11)20-16(17)19-14/h6-7,9H,3-5,8H2,1-2H3,(H3,17,18,19,20)