3-prop-2-enyl-7-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-prop-2-enyl-7-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-allyl-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-prop-2-enyl-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-allyl-7-[4-(2-pyrimidyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)NC1=S

InChI

InChI=1S/C20H20N6O2S/c1-2-8-26-18(28)15-5-4-14(13-16(15)23-20(26)29)17(27)24-9-11-25(12-10-24)19-21-6-3-7-22-19/h2-7,13H,1,8-12H2,(H,23,29)