6-chloranyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]-1H-quinazolin-4-one Formula: C21H13ClN4OS2 MolecularWeight: 436.93712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(S2)N=CN=C3SCC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(S2)N=CN=C3SCC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

InChI

InChI=1S/C21H13ClN4OS2/c22-13-6-7-16-14(8-13)19(27)26-18(25-16)10-28-20-15-9-17(12-4-2-1-3-5-12)29-21(15)24-11-23-20/h1-9,11H,10H2,(H,25,26,27)