5-(4-methylphenyl)-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidine

Systemtic Name: 5-(4-methylphenyl)-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidine Openeye Name: 5-(p-tolyl)-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidine CAS Name: 5-(4-methylphenyl)-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-methylphenyl)-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidine Traditional Name: 5-(p-tolyl)-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidine Formula: C18H19N3S2 MolecularWeight: 341.49356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCCSCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCCSCC4

InChI

InChI=1S/C18H19N3S2/c1-13-3-5-14(6-4-13)15-11-23-18-16(15)17(19-12-20-18)21-7-2-9-22-10-8-21/h3-6,11-12H,2,7-10H2,1H3