2-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)piperazin-1-yl]-4-methyl-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 2-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)piperazin-1-yl]-4-methyl-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 2-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)piperazin-1-yl]-4-methyl-6-pyrrolidin-1-yl-pyrimidine CAS Name: 2-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)-1-piperazinyl]-4-methyl-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 2-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)piperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine Traditional Name: 2-(4-acenaphthen-3-ylsulfonylpiperazino)-4-methyl-6-pyrrolidino-pyrimidine Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=C4CCC5=CC=CC(=C54)C=C3)N6CCCC6

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=C4CCC5=CC=CC(=C54)C=C3)N6CCCC6

InChI

InChI=1S/C25H29N5O2S/c1-18-17-23(28-11-2-3-12-28)27-25(26-18)29-13-15-30(16-14-29)33(31,32)22-10-8-20-6-4-5-19-7-9-21(22)24(19)20/h4-6,8,10,17H,2-3,7,9,11-16H2,1H3