2-cyclopropyl-5-[4-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-cyclopropyl-5-[4-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-(3-allyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]-2-cyclopropyl-oxazole-4-carbonitrile CAS Name: 2-cyclopropyl-5-[4-[oxo-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)methyl]-1-piperazinyl]-4-oxazolecarbonitrile IUPAC Name: 2-cyclopropyl-5-[4-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-[4-(3-allyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)piperazino]-2-cyclopropyl-oxazole-4-carbonitrile Formula: C23H22N6O3S MolecularWeight: 462.52418

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=C(N=C(O4)C5CC5)C#N)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=C(N=C(O4)C5CC5)C#N)NC1=S

InChI

InChI=1S/C23H22N6O3S/c1-2-7-29-21(31)16-6-5-15(12-17(16)26-23(29)33)20(30)27-8-10-28(11-9-27)22-18(13-24)25-19(32-22)14-3-4-14/h2,5-6,12,14H,1,3-4,7-11H2,(H,26,33)