4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-5-carbaldehyde

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-5-carbaldehyde Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-5-carbaldehyde CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[2-(hydroxymethyl)-1-pyrrolidinyl]-5-pyrimidinecarboxaldehyde IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-5-carbaldehyde Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-2-(2-methylolpyrrolidino)pyrimidine-5-carbaldehyde Formula: C18H21ClN4O3 MolecularWeight: 376.83734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C=O)N3CCCC3CO)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C=O)N3CCCC3CO)Cl

InChI

InChI=1S/C18H21ClN4O3/c1-26-16-5-4-12(7-15(16)19)8-20-17-13(10-24)9-21-18(22-17)23-6-2-3-14(23)11-25/h4-5,7,9-10,14,25H,2-3,6,8,11H2,1H3,(H,20,21,22)