4-[[2,4-bis(azanyl)-8-chloranyl-pyrimido[4,5-b]quinolin-5-yl]amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol

Systemtic Name: 4-[[2,4-bis(azanyl)-8-chloranyl-pyrimido[4,5-b]quinolin-5-yl]amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol Openeye Name: 4-[(2,4-diamino-8-chloro-pyrimido[4,5-b]quinolin-5-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol CAS Name: 4-[(2,4-diamino-8-chloro-5-pyrimido[4,5-b]quinolinyl)amino]-2,6-bis(1-pyrrolidinylmethyl)phenol IUPAC Name: 4-[(2,4-diamino-8-chloropyrimido[4,5-b]quinolin-5-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol Traditional Name: 4-[(2,4-diamino-8-chloro-pyrimido[4,5-b]quinolin-5-yl)amino]-2,6-bis(pyrrolidinomethyl)phenol Formula: C27H31ClN8O MolecularWeight: 519.04104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)NC4=C5C(=NC(=NC5=NC6=C4C=CC(=C6)Cl)N)N

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)NC4=C5C(=NC(=NC5=NC6=C4C=CC(=C6)Cl)N)N

InChI

InChI=1S/C27H31ClN8O/c28-18-5-6-20-21(13-18)32-26-22(25(29)33-27(30)34-26)23(20)31-19-11-16(14-35-7-1-2-8-35)24(37)17(12-19)15-36-9-3-4-10-36/h5-6,11-13,37H,1-4,7-10,14-15H2,(H5,29,30,31,32,33,34)