2-(1,3-benzodioxol-5-yl)-4-[(3-fluorophenyl)amino]-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidine-5-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-[(3-fluorophenyl)amino]-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-(3-fluoroanilino)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(3-fluoroanilino)-N-methyl-N-(1-methyl-3-pyrrolidinyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-(3-fluoroanilino)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidine-5-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-(3-fluoroanilino)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidine-5-carboxamide Formula: C24H24FN5O3 MolecularWeight: 449.477463

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)N(C)C(=O)C2=CN=C(N=C2NC3=CC(=CC=C3)F)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1CCC(C1)N(C)C(=O)C2=CN=C(N=C2NC3=CC(=CC=C3)F)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H24FN5O3/c1-29-9-8-18(13-29)30(2)24(31)19-12-26-22(15-6-7-20-21(10-15)33-14-32-20)28-23(19)27-17-5-3-4-16(25)11-17/h3-7,10-12,18H,8-9,13-14H2,1-2H3,(H,26,27,28)