4-(1,4-diazepan-1-yl)-5-phenyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-(1,4-diazepan-1-yl)-5-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(1,4-diazepan-1-yl)-5-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-(1,4-diazepan-1-yl)-5-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-1-yl)-5-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-(1,4-diazepan-1-yl)-5-phenyl-thieno[2,3-d]pyrimidine Formula: C17H18N4S MolecularWeight: 310.41662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=C3C(=CSC3=NC=N2)C4=CC=CC=C4

Isomeric SMILES

C1CNCCN(C1)C2=C3C(=CSC3=NC=N2)C4=CC=CC=C4

InChI

InChI=1S/C17H18N4S/c1-2-5-13(6-3-1)14-11-22-17-15(14)16(19-12-20-17)21-9-4-7-18-8-10-21/h1-3,5-6,11-12,18H,4,7-10H2