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

Systemtic Name: 4-(3,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Openeye Name: 4-(3,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine CAS Name: 4-(3,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine IUPAC Name: 4-(3,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Traditional Name: [4-(3,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]azepin-2-yl]amine Formula: C16H20N4 MolecularWeight: 268.3568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C3CCCCNC3=NC(=N2)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C3CCCCNC3=NC(=N2)N)C

InChI

InChI=1S/C16H20N4/c1-10-7-11(2)9-12(8-10)14-13-5-3-4-6-18-15(13)20-16(17)19-14/h7-9H,3-6H2,1-2H3,(H3,17,18,19,20)