5-[(3-nonoxyphenyl)methyl]pyrimidine-2,4-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=CC(=C1)CC2=CN=C(N=C2N)N

Isomeric SMILES

CCCCCCCCCOC1=CC=CC(=C1)CC2=CN=C(N=C2N)N

InChI

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