N3-[1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-propyl-indol-5-yl]-N4-methyl-1-oxidanylidene-1,2,5-thiadiazole-3,4-diamine

Systemtic Name: N3-[1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-propyl-indol-5-yl]-N4-methyl-1-oxidanylidene-1,2,5-thiadiazole-3,4-diamine Openeye Name: N3-[1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-propyl-indol-5-yl]-N4-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine CAS Name: N3-[1-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]-2-propyl-5-indolyl]-N4-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine IUPAC Name: 3-N-[1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-propylindol-5-yl]-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine Traditional Name: [1-keto-4-[[1-[4-(5-methoxypyrimidin-4-yl)piperazino]-2-propyl-indol-5-yl]amino]-1,2,5-thiadiazol-3-yl]-methyl-amine Formula: C23H29N9O2S MolecularWeight: 495.60046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(N1N3CCN(CC3)C4=NC=NC=C4OC)C=CC(=C2)NC5=NS(=O)N=C5NC

Isomeric SMILES

CCCC1=CC2=C(N1N3CCN(CC3)C4=NC=NC=C4OC)C=CC(=C2)NC5=NS(=O)N=C5NC

InChI

InChI=1S/C23H29N9O2S/c1-4-5-18-13-16-12-17(27-22-21(24-2)28-35(33)29-22)6-7-19(16)32(18)31-10-8-30(9-11-31)23-20(34-3)14-25-15-26-23/h6-7,12-15H,4-5,8-11H2,1-3H3,(H,24,28)(H,27,29)