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

Systemtic Name: 4-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)piperazin-1-yl]-6-ethoxy-2-methyl-pyrimidine Openeye Name: 4-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)piperazin-1-yl]-6-ethoxy-2-methyl-pyrimidine CAS Name: 4-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)-1-piperazinyl]-6-ethoxy-2-methylpyrimidine IUPAC Name: 4-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)piperazin-1-yl]-6-ethoxy-2-methylpyrimidine Traditional Name: 4-(4-acenaphthen-3-ylsulfonylpiperazino)-6-ethoxy-2-methyl-pyrimidine Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=C1)N2CCN(CC2)S(=O)(=O)C3=C4CCC5=CC=CC(=C54)C=C3)C

Isomeric SMILES

CCOC1=NC(=NC(=C1)N2CCN(CC2)S(=O)(=O)C3=C4CCC5=CC=CC(=C54)C=C3)C

InChI

InChI=1S/C23H26N4O3S/c1-3-30-22-15-21(24-16(2)25-22)26-11-13-27(14-12-26)31(28,29)20-10-8-18-6-4-5-17-7-9-19(20)23(17)18/h4-6,8,10,15H,3,7,9,11-14H2,1-2H3