3-bromanyl-N2-(4-morpholin-4-ylbutyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine

Systemtic Name: 3-bromanyl-N2-(4-morpholin-4-ylbutyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine Openeye Name: 3-bromo-N2-(4-morpholinobutyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine CAS Name: 3-bromo-N2-[4-(4-morpholinyl)butyl]-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine IUPAC Name: 3-bromo-2-N-(4-morpholin-4-ylbutyl)-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine Traditional Name: [3-bromo-2-(4-morpholinobutylamino)phenyl]-pyrido[4,3-d]pyrimidin-4-yl-amine Formula: C21H25BrN6O MolecularWeight: 457.3668

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCCNC2=C(C=CC=C2Br)NC3=NC=NC4=C3C=NC=C4

Isomeric SMILES

C1COCCN1CCCCNC2=C(C=CC=C2Br)NC3=NC=NC4=C3C=NC=C4

InChI

InChI=1S/C21H25BrN6O/c22-17-4-3-5-19(27-21-16-14-23-8-6-18(16)25-15-26-21)20(17)24-7-1-2-9-28-10-12-29-13-11-28/h3-6,8,14-15,24H,1-2,7,9-13H2,(H,25,26,27)