4-(2-azanylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(2-azanylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide Openeye Name: 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(m-tolyl)piperazine-1-carboxamide CAS Name: 4-(2-amino-4-thieno[2,3-d]pyrimidinyl)-N-(3-methylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(m-tolyl)piperazine-1-carboxamide Formula: C18H20N6OS MolecularWeight: 368.456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=C4C=CSC4=NC(=N3)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=C4C=CSC4=NC(=N3)N

InChI

InChI=1S/C18H20N6OS/c1-12-3-2-4-13(11-12)20-18(25)24-8-6-23(7-9-24)15-14-5-10-26-16(14)22-17(19)21-15/h2-5,10-11H,6-9H2,1H3,(H,20,25)(H2,19,21,22)