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

Systemtic Name: 4-(thiophen-2-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Openeye Name: 4-(2-thienylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine CAS Name: 4-(thiophen-2-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine IUPAC Name: 4-(thiophen-2-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Traditional Name: [4-(2-thenyl)-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]azepin-2-yl]amine Formula: C13H16N4S MolecularWeight: 260.35794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC2=NC(=NC(=C2C1)CC3=CC=CS3)N

Isomeric SMILES

C1CCNC2=NC(=NC(=C2C1)CC3=CC=CS3)N

InChI

InChI=1S/C13H16N4S/c14-13-16-11(8-9-4-3-7-18-9)10-5-1-2-6-15-12(10)17-13/h3-4,7H,1-2,5-6,8H2,(H3,14,15,16,17)