N'-(3,4-dihydro-2H-chromen-2-ylmethyl)-N'-(phenylmethyl)-N-pyrimidin-2-yl-butane-1,4-diamine

Systemtic Name: N'-(3,4-dihydro-2H-chromen-2-ylmethyl)-N'-(phenylmethyl)-N-pyrimidin-2-yl-butane-1,4-diamine Openeye Name: N'-benzyl-N'-(chroman-2-ylmethyl)-N-pyrimidin-2-yl-butane-1,4-diamine CAS Name: N'-(3,4-dihydro-2H-1-benzopyran-2-ylmethyl)-N'-(phenylmethyl)-N-(2-pyrimidinyl)butane-1,4-diamine IUPAC Name: N'-benzyl-N'-(3,4-dihydro-2H-chromen-2-ylmethyl)-N-pyrimidin-2-ylbutane-1,4-diamine Traditional Name: benzyl-(chroman-2-ylmethyl)-[4-(2-pyrimidylamino)butyl]amine Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2OC1CN(CCCCNC3=NC=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CC2=CC=CC=C2OC1CN(CCCCNC3=NC=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O/c1-2-9-21(10-3-1)19-29(18-7-6-15-26-25-27-16-8-17-28-25)20-23-14-13-22-11-4-5-12-24(22)30-23/h1-5,8-12,16-17,23H,6-7,13-15,18-20H2,(H,26,27,28)