4-azanyl-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]benzyl]amino]pyrimidine-5-carbonitrile Formula: C22H31N7 MolecularWeight: 393.52844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCCNCC2=CC=C(C=C2)CNC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1CCC(CC1)NCCCNCC2=CC=C(C=C2)CNC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C22H31N7/c23-13-19-16-28-22(29-21(19)24)27-15-18-9-7-17(8-10-18)14-25-11-4-12-26-20-5-2-1-3-6-20/h7-10,16,20,25-26H,1-6,11-12,14-15H2,(H3,24,27,28,29)