5-[(3,5-diethoxy-5-iodanyl-cyclohexa-1,3-dien-1-yl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(3,5-diethoxy-5-iodanyl-cyclohexa-1,3-dien-1-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(3,5-diethoxy-5-iodo-cyclohexa-1,3-dien-1-yl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[(3,5-diethoxy-5-iodo-1-cyclohexa-1,3-dienyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(3,5-diethoxy-5-iodocyclohexa-1,3-dien-1-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(3,5-diethoxy-5-iodo-cyclohexa-1,3-dien-1-yl)methyl]pyrimidin-4-yl]amine Formula: C15H21IN4O2 MolecularWeight: 416.25731

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(CC(=C1)CC2=CN=C(N=C2N)N)(OCC)I

Isomeric SMILES

CCOC1=CC(CC(=C1)CC2=CN=C(N=C2N)N)(OCC)I

InChI

InChI=1S/C15H21IN4O2/c1-3-21-12-6-10(7-15(16,8-12)22-4-2)5-11-9-19-14(18)20-13(11)17/h6,8-9H,3-5,7H2,1-2H3,(H4,17,18,19,20)