4-[4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-oxidanyl-phenyl]carbonylpiperazin-2-one

Systemtic Name: 4-[4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-oxidanyl-phenyl]carbonylpiperazin-2-one Openeye Name: 4-[4-[[4,6-bis(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]amino]-2-hydroxy-benzoyl]piperazin-2-one CAS Name: 4-[[4-[[4,6-bis(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[4-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxybenzoyl]piperazin-2-one Traditional Name: 4-[4-[[4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]amino]-2-hydroxy-benzoyl]piperazin-2-one Formula: C24H36N12O3 MolecularWeight: 540.62124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)C2=C(C=C(C=C2)NC3=NC(=NC(=N3)N4CC(CC(C4)N)N)N5CC(CC(C5)N)N)O

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)C2=C(C=C(C=C2)NC3=NC(=NC(=N3)N4CC(CC(C4)N)N)N5CC(CC(C5)N)N)O

InChI

InChI=1S/C24H36N12O3/c25-13-5-14(26)9-35(8-13)23-31-22(32-24(33-23)36-10-15(27)6-16(28)11-36)30-17-1-2-18(19(37)7-17)21(39)34-4-3-29-20(38)12-34/h1-2,7,13-16,37H,3-6,8-12,25-28H2,(H,29,38)(H,30,31,32,33)