N,N-diethyl-4-thiophen-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine

Systemtic Name: N,N-diethyl-4-thiophen-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine Openeye Name: N,N-diethyl-4-(2-thienyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine CAS Name: N,N-diethyl-4-thiophen-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine IUPAC Name: N,N-diethyl-4-thiophen-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine Traditional Name: diethyl-[4-(2-thienyl)-6,7,8,9-tetrahydro-5H-pyrimid[4,5-d]azepin-2-yl]amine Formula: C16H22N4S MolecularWeight: 302.43768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=C2CCNCCC2=N1)C3=CC=CS3

Isomeric SMILES

CCN(CC)C1=NC(=C2CCNCCC2=N1)C3=CC=CS3

InChI

InChI=1S/C16H22N4S/c1-3-20(4-2)16-18-13-8-10-17-9-7-12(13)15(19-16)14-6-5-11-21-14/h5-6,11,17H,3-4,7-10H2,1-2H3