4-[2-(4-butoxyphenyl)sulfonyl-1-piperidin-3-yl-pyrrolidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-[2-(4-butoxyphenyl)sulfonyl-1-piperidin-3-yl-pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-[2-(4-butoxyphenyl)sulfonyl-1-(3-piperidyl)pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-[2-(4-butoxyphenyl)sulfonyl-1-(3-piperidinyl)-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-[2-(4-butoxyphenyl)sulfonyl-1-piperidin-3-ylpyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-[2-(4-butoxyphenyl)sulfonyl-1-(3-piperidyl)pyrrolidin-3-yl]pyrimidin-2-yl]amine Formula: C23H33N5O3S MolecularWeight: 459.60482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2C(CCN2C3CCCNC3)C4=NC(=NC=C4)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2C(CCN2C3CCCNC3)C4=NC(=NC=C4)N

InChI

InChI=1S/C23H33N5O3S/c1-2-3-15-31-18-6-8-19(9-7-18)32(29,30)22-20(21-10-13-26-23(24)27-21)11-14-28(22)17-5-4-12-25-16-17/h6-10,13,17,20,22,25H,2-5,11-12,14-16H2,1H3,(H2,24,26,27)