6-ethyl-5-[(3-heptoxyphenyl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-5-[(3-heptoxyphenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-[(3-heptoxyphenyl)methyl]pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[(3-heptoxyphenyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-[(3-heptoxyphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-ethyl-5-(3-heptoxybenzyl)pyrimidin-4-yl]amine Formula: C20H30N4O MolecularWeight: 342.4784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)CC2=C(N=C(N=C2N)N)CC

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)CC2=C(N=C(N=C2N)N)CC

InChI

InChI=1S/C20H30N4O/c1-3-5-6-7-8-12-25-16-11-9-10-15(13-16)14-17-18(4-2)23-20(22)24-19(17)21/h9-11,13H,3-8,12,14H2,1-2H3,(H4,21,22,23,24)