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

Systemtic Name: 4-(5-chloranylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Openeye Name: 4-(5-chloro-2-thienyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine CAS Name: 4-(5-chloro-2-thiophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine IUPAC Name: 4-(5-chlorothiophen-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Traditional Name: [4-(5-chloro-2-thienyl)-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]azepin-2-yl]amine Formula: C12H13ClN4S MolecularWeight: 280.77642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC2=NC(=NC(=C2C1)C3=CC=C(S3)Cl)N

Isomeric SMILES

C1CCNC2=NC(=NC(=C2C1)C3=CC=C(S3)Cl)N

InChI

InChI=1S/C12H13ClN4S/c13-9-5-4-8(18-9)10-7-3-1-2-6-15-11(7)17-12(14)16-10/h4-5H,1-3,6H2,(H3,14,15,16,17)