3-[(E)-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylideneamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(E)-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylideneamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(E)-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(E)-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)methylideneamino]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(E)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(E)-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=NN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=N/N3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C22H20N4OS/c1-14-10-17(15(2)26(14)18-8-9-18)11-24-25-13-23-21-20(22(25)27)19(12-28-21)16-6-4-3-5-7-16/h3-7,10-13,18H,8-9H2,1-2H3/b24-11+