7-[[4-[2-(aminomethyl)-4-oxidanyl-pyrrolidin-1-yl]-6-[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-chromen-2-one

Systemtic Name: 7-[[4-[2-(aminomethyl)-4-oxidanyl-pyrrolidin-1-yl]-6-[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-chromen-2-one Openeye Name: 7-[[4-[2-(aminomethyl)-4-hydroxy-pyrrolidin-1-yl]-6-(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]amino]-4-methyl-chromen-2-one CAS Name: 7-[[4-[2-(aminomethyl)-4-hydroxy-1-pyrrolidinyl]-6-(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]amino]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[[4-[2-(aminomethyl)-4-hydroxypyrrolidin-1-yl]-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methylchromen-2-one Traditional Name: 7-[[4-[2-(aminomethyl)-4-hydroxy-pyrrolidino]-6-(3,5-diaminopiperidino)-s-triazin-2-yl]amino]-4-methyl-coumarin Formula: C23H31N9O3 MolecularWeight: 481.55074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC3=NC(=NC(=N3)N4CC(CC4CN)O)N5CC(CC(C5)N)N

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC3=NC(=NC(=N3)N4CC(CC4CN)O)N5CC(CC(C5)N)N

InChI

InChI=1S/C23H31N9O3/c1-12-4-20(34)35-19-6-15(2-3-18(12)19)27-21-28-22(31-9-13(25)5-14(26)10-31)30-23(29-21)32-11-17(33)7-16(32)8-24/h2-4,6,13-14,16-17,33H,5,7-11,24-26H2,1H3,(H,27,28,29,30)