(4Z)-4-(2,4-dipyrrolidin-1-yl-1H-pyrimidin-6-ylidene)-2-hexoxy-3-piperazin-1-yl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-(2,4-dipyrrolidin-1-yl-1H-pyrimidin-6-ylidene)-2-hexoxy-3-piperazin-1-yl-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-4-(2,4-dipyrrolidin-1-yl-1H-pyrimidin-6-ylidene)-2-hexoxy-3-piperazin-1-yl-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[2,4-bis(1-pyrrolidinyl)-1H-pyrimidin-6-ylidene]-2-hexoxy-3-(1-piperazinyl)-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-(2,4-dipyrrolidin-1-yl-1H-pyrimidin-6-ylidene)-2-hexoxy-3-piperazin-1-ylcyclohexa-2,5-dien-1-one Traditional Name: (4Z)-4-(2,4-dipyrrolidino-1H-pyrimidin-6-ylidene)-2-hexoxy-3-piperazino-cyclohexa-2,5-dien-1-one Formula: C28H42N6O2 MolecularWeight: 494.67208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=C2C=C(N=C(N2)N3CCCC3)N4CCCC4)C=CC1=O)N5CCNCC5

Isomeric SMILES

CCCCCCOC1=C(/C(=C\2/C=C(N=C(N2)N3CCCC3)N4CCCC4)/C=CC1=O)N5CCNCC5

InChI

InChI=1S/C28H42N6O2/c1-2-3-4-9-20-36-27-24(35)11-10-22(26(27)33-18-12-29-13-19-33)23-21-25(32-14-5-6-15-32)31-28(30-23)34-16-7-8-17-34/h10-11,21,29H,2-9,12-20H2,1H3,(H,30,31)/b23-22-