4-thiophen-3-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine

Systemtic Name: 4-thiophen-3-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Openeye Name: 4-(3-thienyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine CAS Name: 4-(3-thiophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine IUPAC Name: 4-thiophen-3-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Traditional Name: [4-(3-thienyl)-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]azepin-2-yl]amine Formula: C12H14N4S MolecularWeight: 246.33136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC2=NC(=NC(=C2C1)C3=CSC=C3)N

Isomeric SMILES

C1CCNC2=NC(=NC(=C2C1)C3=CSC=C3)N

InChI

InChI=1S/C12H14N4S/c13-12-15-10(8-4-6-17-7-8)9-3-1-2-5-14-11(9)16-12/h4,6-7H,1-3,5H2,(H3,13,14,15,16)