1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one

Systemtic Name: 1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one Openeye Name: 1-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one CAS Name: 1-[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]-1,4-diazepan-5-one IUPAC Name: 1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one Traditional Name: 1-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-5-one Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCC(=O)NCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCC(=O)NCC4

InChI

InChI=1S/C18H18N4OS/c1-12-2-4-13(5-3-12)14-10-24-18-16(14)17(20-11-21-18)22-8-6-15(23)19-7-9-22/h2-5,10-11H,6-9H2,1H3,(H,19,23)