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

Systemtic Name: 5-[(3-heptoxyphenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(3-heptoxyphenyl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[(3-heptoxyphenyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(3-heptoxyphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(3-heptoxybenzyl)pyrimidin-4-yl]amine Formula: C18H26N4O MolecularWeight: 314.42524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O/c1-2-3-4-5-6-10-23-16-9-7-8-14(12-16)11-15-13-21-18(20)22-17(15)19/h7-9,12-13H,2-6,10-11H2,1H3,(H4,19,20,21,22)