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

Systemtic Name: 4-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Openeye Name: 4-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine CAS Name: 4-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine IUPAC Name: 4-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Traditional Name: [4-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]azepin-2-yl]amine Formula: C14H15ClN4 MolecularWeight: 274.7487

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC2=NC(=NC(=C2C1)C3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1CCNC2=NC(=NC(=C2C1)C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C14H15ClN4/c15-10-6-4-9(5-7-10)12-11-3-1-2-8-17-13(11)19-14(16)18-12/h4-7H,1-3,8H2,(H3,16,17,18,19)