4-pyrrolidin-1-ylbutyl 2-[4-[[2-azanyl-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]phenyl]ethanoate

Systemtic Name: 4-pyrrolidin-1-ylbutyl 2-[4-[[2-azanyl-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]phenyl]ethanoate Openeye Name: 4-pyrrolidin-1-ylbutyl 2-[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]phenyl]acetate CAS Name: 2-[4-[[2-amino-4-methyl-6-(pentylamino)-5-pyrimidinyl]methyl]phenyl]acetic acid 4-(1-pyrrolidinyl)butyl ester IUPAC Name: 4-pyrrolidin-1-ylbutyl 2-[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]phenyl]acetate Traditional Name: 2-[4-[[2-amino-4-(amylamino)-6-methyl-pyrimidin-5-yl]methyl]phenyl]acetic acid 4-pyrrolidinobutyl ester Formula: C27H41N5O2 MolecularWeight: 467.64674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC(=NC(=C1CC2=CC=C(C=C2)CC(=O)OCCCCN3CCCC3)C)N

Isomeric SMILES

CCCCCNC1=NC(=NC(=C1CC2=CC=C(C=C2)CC(=O)OCCCCN3CCCC3)C)N

InChI

InChI=1S/C27H41N5O2/c1-3-4-5-14-29-26-24(21(2)30-27(28)31-26)19-22-10-12-23(13-11-22)20-25(33)34-18-9-8-17-32-15-6-7-16-32/h10-13H,3-9,14-20H2,1-2H3,(H3,28,29,30,31)