1-methyl-3-(phenylmethyl)-6-(3-pyridin-4-ylprop-1-ynyl)thieno[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 1-methyl-3-(phenylmethyl)-6-(3-pyridin-4-ylprop-1-ynyl)thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 3-benzyl-1-methyl-6-[3-(4-pyridyl)prop-1-ynyl]thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 1-methyl-3-(phenylmethyl)-6-(3-pyridin-4-ylprop-1-ynyl)thieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 3-benzyl-1-methyl-6-(3-pyridin-4-ylprop-1-ynyl)thieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 3-benzyl-1-methyl-6-[3-(4-pyridyl)prop-1-ynyl]thieno[2,3-d]pyrimidine-2,4-quinone Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(S2)C#CCC3=CC=NC=C3)C(=O)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=C(S2)C#CCC3=CC=NC=C3)C(=O)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H17N3O2S/c1-24-21-19(14-18(28-21)9-5-8-16-10-12-23-13-11-16)20(26)25(22(24)27)15-17-6-3-2-4-7-17/h2-4,6-7,10-14H,8,15H2,1H3