3-[[4-ethylsulfanyl-3-(5-methoxypyrimidin-4-yl)-4-(3-piperazin-1-ylpropyl)indol-5-yl]amino]-4-methyl-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[4-ethylsulfanyl-3-(5-methoxypyrimidin-4-yl)-4-(3-piperazin-1-ylpropyl)indol-5-yl]amino]-4-methyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[[4-ethylsulfanyl-3-(5-methoxypyrimidin-4-yl)-4-(3-piperazin-1-ylpropyl)indol-5-yl]amino]-4-methyl-cyclobut-3-ene-1,2-dione CAS Name: 3-[[4-(ethylthio)-3-(5-methoxy-4-pyrimidinyl)-4-[3-(1-piperazinyl)propyl]-5-indolyl]amino]-4-methylcyclobut-3-ene-1,2-dione IUPAC Name: 3-[[4-ethylsulfanyl-3-(5-methoxypyrimidin-4-yl)-4-(3-piperazin-1-ylpropyl)indol-5-yl]amino]-4-methylcyclobut-3-ene-1,2-dione Traditional Name: 3-[[4-(ethylthio)-3-(5-methoxypyrimidin-4-yl)-4-(3-piperazinopropyl)indol-5-yl]amino]-4-methyl-cyclobut-3-ene-1,2-quinone Formula: C27H32N6O3S MolecularWeight: 520.64638

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1(C(=CC=C2C1=C(C=N2)C3=NC=NC=C3OC)NC4=C(C(=O)C4=O)C)CCCN5CCNCC5

Isomeric SMILES

CCSC1(C(=CC=C2C1=C(C=N2)C3=NC=NC=C3OC)NC4=C(C(=O)C4=O)C)CCCN5CCNCC5

InChI

InChI=1S/C27H32N6O3S/c1-4-37-27(8-5-11-33-12-9-28-10-13-33)21(32-23-17(2)25(34)26(23)35)7-6-19-22(27)18(14-30-19)24-20(36-3)15-29-16-31-24/h6-7,14-16,28,32H,4-5,8-13H2,1-3H3