3-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methyleneamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(E)-[3-methyl-1-phenyl-5-(1-pyrrolidinyl)-4-pyrazolyl]methylideneamino]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(E)-(3-methyl-1-phenyl-5-pyrrolidino-pyrazol-4-yl)methyleneamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C27H24N6OS MolecularWeight: 480.58406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4)N5CCCC5)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C(=C1/C=N/N2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4)N5CCCC5)C6=CC=CC=C6

InChI

InChI=1S/C27H24N6OS/c1-19-22(26(31-14-8-9-15-31)33(30-19)21-12-6-3-7-13-21)16-29-32-18-28-25-24(27(32)34)23(17-35-25)20-10-4-2-5-11-20/h2-7,10-13,16-18H,8-9,14-15H2,1H3/b29-16+