N4-(4-butyloxan-4-yl)-6-methyl-5-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

Systemtic Name: N4-(4-butyloxan-4-yl)-6-methyl-5-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine Openeye Name: N4-(4-butyltetrahydropyran-4-yl)-6-methyl-5-(4-pyridylmethyl)pyrimidine-2,4-diamine CAS Name: N4-(4-butyl-4-oxanyl)-6-methyl-5-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(4-butyloxan-4-yl)-6-methyl-5-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine Traditional Name: [2-amino-6-methyl-5-(4-pyridylmethyl)pyrimidin-4-yl]-(4-butyltetrahydropyran-4-yl)amine Formula: C20H29N5O MolecularWeight: 355.47716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCOCC1)NC2=NC(=NC(=C2CC3=CC=NC=C3)C)N

Isomeric SMILES

CCCCC1(CCOCC1)NC2=NC(=NC(=C2CC3=CC=NC=C3)C)N

InChI

InChI=1S/C20H29N5O/c1-3-4-7-20(8-12-26-13-9-20)25-18-17(15(2)23-19(21)24-18)14-16-5-10-22-11-6-16/h5-6,10-11H,3-4,7-9,12-14H2,1-2H3,(H3,21,23,24,25)