7-[[4-(2-azanylethylamino)-6-[(3S,5R)-3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-chromen-2-one

Systemtic Name: 7-[[4-(2-azanylethylamino)-6-[(3S,5R)-3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-chromen-2-one Openeye Name: 7-[[4-(2-aminoethylamino)-6-[(3S,5R)-3,5-diamino-1-piperidyl]-1,3,5-triazin-2-yl]amino]-4-methyl-chromen-2-one CAS Name: 7-[[4-(2-aminoethylamino)-6-[(3S,5R)-3,5-diamino-1-piperidinyl]-1,3,5-triazin-2-yl]amino]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[[4-(2-aminoethylamino)-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methylchromen-2-one Traditional Name: 7-[[4-(2-aminoethylamino)-6-[(3S,5R)-3,5-diaminopiperidino]-s-triazin-2-yl]amino]-4-methyl-coumarin Formula: C20H27N9O2 MolecularWeight: 425.48748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC3=NC(=NC(=N3)N4CC(CC(C4)N)N)NCCN

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC3=NC(=NC(=N3)N4C[C@@H](C[C@@H](C4)N)N)NCCN

InChI

InChI=1S/C20H27N9O2/c1-11-6-17(30)31-16-8-14(2-3-15(11)16)25-19-26-18(24-5-4-21)27-20(28-19)29-9-12(22)7-13(23)10-29/h2-3,6,8,12-13H,4-5,7,9-10,21-23H2,1H3,(H2,24,25,26,27,28)/t12-,13+