4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(1,2-oxazol-3-yl)-2-oxidanyl-benzamide

Systemtic Name: 4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(1,2-oxazol-3-yl)-2-oxidanyl-benzamide Openeye Name: 4-[[4,6-bis(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]amino]-2-hydroxy-N-isoxazol-3-yl-benzamide CAS Name: 4-[[4,6-bis(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]amino]-2-hydroxy-N-(3-isoxazolyl)benzamide IUPAC Name: 4-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxy-N-(1,2-oxazol-3-yl)benzamide Traditional Name: 4-[[4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]amino]-2-hydroxy-N-isoxazol-3-yl-benzamide Formula: C23H32N12O3 MolecularWeight: 524.57878

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(CC1N)C2=NC(=NC(=N2)NC3=CC(=C(C=C3)C(=O)NC4=NOC=C4)O)N5CC(CC(C5)N)N)N

Isomeric SMILES

C1C(CN(CC1N)C2=NC(=NC(=N2)NC3=CC(=C(C=C3)C(=O)NC4=NOC=C4)O)N5CC(CC(C5)N)N)N

InChI

InChI=1S/C23H32N12O3/c24-12-5-13(25)9-34(8-12)22-30-21(31-23(32-22)35-10-14(26)6-15(27)11-35)28-16-1-2-17(18(36)7-16)20(37)29-19-3-4-38-33-19/h1-4,7,12-15,36H,5-6,8-11,24-27H2,(H,29,33,37)(H,28,30,31,32)