3-methyl-N2-[3-(4-methylpiperazin-1-yl)propyl]-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine

Systemtic Name: 3-methyl-N2-[3-(4-methylpiperazin-1-yl)propyl]-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine Openeye Name: 3-methyl-N2-[3-(4-methylpiperazin-1-yl)propyl]-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine CAS Name: 3-methyl-N2-[3-(4-methyl-1-piperazinyl)propyl]-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine IUPAC Name: 3-methyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine Traditional Name: [3-methyl-2-[3-(4-methylpiperazino)propylamino]phenyl]-pyrido[4,3-d]pyrimidin-4-yl-amine Formula: C22H29N7 MolecularWeight: 391.51256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NC=NC3=C2C=NC=C3)NCCCN4CCN(CC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NC=NC3=C2C=NC=C3)NCCCN4CCN(CC4)C

InChI

InChI=1S/C22H29N7/c1-17-5-3-6-20(27-22-18-15-23-9-7-19(18)25-16-26-22)21(17)24-8-4-10-29-13-11-28(2)12-14-29/h3,5-7,9,15-16,24H,4,8,10-14H2,1-2H3,(H,25,26,27)