4-azanyl-7-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-7-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 4-amino-7-[[2-benzyloxy-1-(benzyloxymethyl)ethoxy]methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 4-amino-7-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-5-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 4-amino-7-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 4-amino-7-[[2-benzoxy-1-(benzoxymethyl)ethoxy]methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(COCC2=CC=CC=C2)OCN3C=C(C4=C3N=CN=C4N)C#N

Isomeric SMILES

C1=CC=C(C=C1)COCC(COCC2=CC=CC=C2)OCN3C=C(C4=C3N=CN=C4N)C#N

InChI

InChI=1S/C25H25N5O3/c26-11-21-12-30(25-23(21)24(27)28-17-29-25)18-33-22(15-31-13-19-7-3-1-4-8-19)16-32-14-20-9-5-2-6-10-20/h1-10,12,17,22H,13-16,18H2,(H2,27,28,29)